first add

This commit is contained in:
mm644706215
2025-09-17 22:14:05 +08:00
commit 64d80d2e3c
9 changed files with 1534 additions and 0 deletions

17
utils/search.py Normal file
View File

@@ -0,0 +1,17 @@
import sqlite3
# 连接到数据库
conn = sqlite3.connect('../test/data/35/data/chembl_35/chembl_35_sqlite/chembl_35.db')
# 查询抗生素相关分子 (修正版)
query = """
SELECT m.chembl_id, m.pref_name, cs.molecule_synonym
FROM molecule_synonyms cs
JOIN molecule_dictionary m ON cs.molregno = m.molregno
WHERE cs.molecule_synonym LIKE '%antibiotic%'
LIMIT 10
"""
cursor = conn.execute(query)
for row in cursor.fetchall():
print(row)